2-chloranyl-N-(3-methylbutyl)-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide

Systemtic Name: 2-chloranyl-N-(3-methylbutyl)-4-nitro-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Openeye Name: 2-chloro-N-isopentyl-4-nitro-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide CAS Name: 2-chloro-N-(3-methylbutyl)-4-nitro-N-[2-oxo-2-(2-thiazolylamino)ethyl]benzamide IUPAC Name: 2-chloro-N-(3-methylbutyl)-4-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide Traditional Name: 2-chloro-N-isoamyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-4-nitro-benzamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN4O4S/c1-11(2)5-7-21(10-15(23)20-17-19-6-8-27-17)16(24)13-4-3-12(22(25)26)9-14(13)18/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,19,20,23)